SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1022
            [topology] => 3<sup>5</sup>T9
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5764]
            [space_group] => Pm-3m
            [pearson] => cP152
            [cn] => 3
            [Year] => 2014
            [cn_sort] => 003-
            [topology_str] => 3<sup>5</sup>T9
            [sp_atoms] => 
            [caid] => 239
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.291
            [e_gap] => 
            [energy] => 1.064
            [bulk_mod] => 67.3
            [shear_mod] => 46.9
            [vicker_hard] => 5.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1023
            [topology] => 3<sup>5</sup>T9
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5764]
            [space_group] => Pm-3m
            [pearson] => cP152
            [cn] => 3
            [Year] => 2014
            [cn_sort] => 003-
            [topology_str] => 3<sup>5</sup>T9
            [sp_atoms] => 
            [caid] => 239
            [nn] => 1
            [name] => 6-1-3-P
            [pressure] => 
            [density] => 1.34
            [e_gap] => Metal
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2014_Carbon_266_Kotani_P_schwartzites
            [publ_year] => 2014
            [ref] => 
        )

)

SACADA Database Code: 239

Topology: 3⁵T9

# of independent nodes (IN): 5
Transitivity: [5764]
Space Group: Pm-3m
Pearson: cP152
Coordination Number (CN): 3

Year: 2014

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3⁵T9 (SACADA #239)		1.291		1.064	67.3	46.9	5.5	SACADA¹
6-1-3-P		1.34	Metal					doi: 10.1016/j.carbon.2014.04.077

Elasticity tensor (kBar)¹

987.5482	515.5613	515.5613	-0.0000	0.0000	0.0000
515.5613	987.5482	515.5613	-0.0000	-0.0000	0.0000
515.5613	515.5613	987.5482	0.0000	-0.0000	-0.0000
-0.0000	0.0000	0.0000	741.3236	0.0000	-0.0000
-0.0000	-0.0000	-0.0000	-0.0000	741.3236	0.0000
0.0000	0.0000	-0.0000	-0.0000	0.0000	741.3236

¹ We apply the density functional theory (DFT) approach by using the Vienna Ab Initio Simulation Package (VASP) to calculate the total energy and properties of carbon allotropes.

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Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976